CAS | 34080-08-5 |
Structure | |
Synonyms | S-Protopanaxatriol |
IUPAC Name | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol |
Molecular Weight | 476.74 |
Molecular Formula | C30H52O4 |
Canonical SMILES | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O)C |
InChI | InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1 |
InChI Key | SHCBCKBYTHZQGZ-CJPZEJHVSA-N |
Boiling Point | 590.0±50.0 °C |
Melting Point | 242-244 °C |
Purity | 98% |
Density | 1.079 g/ml |
pKa | 14.73±0.70 |
Appearance | Off-white powder |
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